2-Methyloctane - CAS 3221-61-2
Catalog: |
BB021228 |
Product Name: |
2-Methyloctane |
CAS: |
3221-61-2 |
Synonyms: |
2-methyloctane |
IUPAC Name: | 2-methyloctane |
Description: | 2-Methyloctane (CAS# 3221-61-2 ) is a useful research chemical. |
Molecular Weight: | 128.26 |
Molecular Formula: | C9H20 |
Canonical SMILES: | CCCCCCC(C)C |
InChI: | InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3 |
InChI Key: | ZUBZATZOEPUUQF-UHFFFAOYSA-N |
Boiling Point: | 143.3 °C at 760 mmHg |
Melting Point: | -80 °C |
Purity: | 95 % |
Density: | 0.714 g/cm3 |
Solubility: | Other solvents(Soluble) : Ether, Alcohols, Benzene, Acetone |
Appearance: | Colourless liquid |
MDL: | MFCD00027307 |
LogP: | 3.61280 |
Vapor Pressure: | 6.21 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22359435 | 20120101 | Therapeutic application of natural inhibitors against snake venom phospholipase A(2) | Bioinformation |
22505951 | 20120101 | Human biological monitoring of diisononyl phthalate and diisodecyl phthalate: a review | Journal of environmental and public health |
22007163 | 20110101 | Beyond THC: The New Generation of Cannabinoid Designer Drugs | Frontiers in behavioral neuroscience |
20185384 | 20100601 | Association of exposure to phthalates with endometriosis and uterine leiomyomata: findings from NHANES, 1999-2004 | Environmental health perspectives |
20397227 | 20100401 | The intrasectional chemotaxonomic placement of Hypericum elegans Stephan ex Willd. Inferred from the essential-oil chemical composition | Chemistry & biodiversity |
Complexity: | 46 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.156500638 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.156500638 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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